#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001982.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2001982
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 336
_journal_page_last 338
loop_
_publ_author_name
'Hardgrove, G.L. Jr'
'Clark, J.S.'
'Hanson, R.M.'
'Thieu, A.Q.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C21 H23 N1 O2'
_chemical_formula_weight 321.4
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21 1'
_symmetry_space_group_name_Hall 'P 2y1'
_cell_length_a 9.752(5)
_cell_length_b 9.442(6)
_cell_length_c 9.894(7)
_cell_angle_alpha  90
_cell_angle_beta 99.24(5)
_cell_angle_gamma  90
_cell_volume 899(7)
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.19
_exptl_crystal_density_meas 1.16(2)
_exptl_crystal_F_000 344
_exptl_absorpt_coefficient_mu 0.068
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .4371(2) .2373 .4158(2)
C(2) .3089(3) .2813(3) .3388(2)
N(3) .2113(2) .1660(3) .3570(2)
C(4) .2849(3) .0539(3) .4425(2)
C(5) .4050(3) .1406(4) .5179(3)
C(6) .3266(3) .3004(3) .1899(2)
C(7) .4328(2) .4111(3) .1697(2)
C(8) .3938(3) .5451(3) .1225(3)
C(9) .4939(3) .6447(4) .1032(3)
C(10) .6336(3) .6110(4) .1320(3)
C(11) .6734(3) .4778(4) .1791(3)
C(12) .5734(3) .3793(3) .1980(3)
C(13) .3382(3) -.0655(3) .3601(3)
C(14) .2252(2) -.1514(3) .2751(3)
C(15) .1809(3) -.1207(3) .1388(3)
C(16) .0778(3) -.1985(4) .0610(3)
C(17) .0178(3) -.3106(4) .1192(4)
C(18) .0612(3) -.3436(4) .2555(4)
C(19) .1639(3) -.2644(4) .3336(3)
C(20) .0722(3) .1911(3) .3297(3)
O(21) .0293(2) .3058(3) .2815(2)
C(22) -.0227(3) .0749(3) .3518(3)
C(23) -.1563(3) .0839(4) .2987(4)
C(24) -.2605(4) -.0236(5) .3039(5)
H(2) .2614(14) .3635(14) .3774(14)
H(4) .2249(14) .0113(14) .5063(14)
H(5A) .4861(14) .0896(14) .5403(14)
H(5B) .3809(14) .1966(15) .5932(14)
H(6A) .2240(14) .3325(14) .1443(14)
H(6B) .3527(14) .2067(14) .1572(14)
H(8) .2959(14) .5673(14) .1005(14)
H(9) .4685(14) .7329(15) .0772(14)
H(10) .7122(15) .6724(15) .1222(14)
H(11) .7719(14) .4569(15) .1944(14)
H(12) .6035(14) .2802(15) .2424(14)
H(13A) .3872(14) -.1275(15) .4278(14)
H(13B) .4066(15) -.0213(15) .3013(15)
H(15) .2240(14) -.0385(14) .0927(14)
H(16) .0488(14) -.1758(14) -.0335(14)
H(17) -.0500(15) -.3764(15) .0701(15)
H(18) .0207(15) -.4227(15) .3136(15)
H(19) .1940(14) -.2848(15) .4388(14)
H(22) .0107(14) .0002(15) .4125(14)
H(23) -.1862(15) .1664(15) .2430(15)
H(24A) -.2162(4) -.1094(5) .3688(5)
H(24B) -.2961(4) -.0633(5) .2019(5)
H(24C) -.3470(4) .0214(5) .3449(5)